<div dir="ltr">Hi,<div><br></div><div>The "-deffnm" option is very handy because the user doesn't have to specify every single output file (energy, trajectory, log, checkpoint). This option should be kept if it is not too much trouble. Personally, I'd like to see this option applied to other tools as well (trjconv for example).</div><div><br></div><div>One suggestion: Would it be possible to have all the tools that analyze trajectories aware of the "-tu" switch ? It's way more convenient to specify the time in ns, ms, ... than in number of steps. </div><div><br></div><div>Comments?</div><div> </div><div>Cheers,</div><div>Jernej Zidar<br><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Jan 4, 2018 at 5:15 PM, Mark Abraham <span dir="ltr"><<a href="mailto:mark.j.abraham@gmail.com" target="_blank">mark.j.abraham@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><br><div>We should also be aware that -deffnm is brittle in the same way that -multi is, because our filename-handling machinery doesn't centralize changing the prefix/suffix needed to support -deffnm or -multi. So I think we should plan to announce -deffnm as deprecated in the 2019 release (and remove after that). If we think that's useful enough to want to keep, we need people to put up their hands for the work to make all the mdrun modules work with it.<br></div><div><br></div><div>Thanks,</div><div><br></div><div>Mark</div></div>
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